2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline Traditional Name: [2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]amine Formula: C13H21N2+ MolecularWeight: 205.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=CC=C2N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2N

InChI

InChI=1S/C13H20N2/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10,14H2,1H3/p+1/t11-/m0/s1